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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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NASA NTRS1984

Non-local Origin of a Substantial Portion of the Soft X-ray Background

Comparison of the SAS-3 soft X-ray sky survey with the 21-cm neutral hydrogen survey confirms the well-known anticorrelation between the counting rates in the C-band (0.10-0.28 keV) and the column density of neutral hydrogen, and demonstrates that this anticorrelation is significant on all angular scales ranging from that of the general trend from the galactic equator to the poles down to the angular resolution of the detector (2.07 FWHM). Numerous instances of what appear to be soft X-ray shadows of nearly (100-300 pc) 21-cm features, and several bright X-ray regions coincident with holes in the interstellar medium are included in this general correlation. The final set of selected data has an exposure of 2.2 x 10 to the 4th power/sq cm s sr, a sky coverage of 80%, and is free of spurious effects due to charged particles and solar radiations. The validity of the two-component model of the X-ray background, introduced by Davidsen et al. (1977) is examined. In this model the C-band intensity in a given direction is represented as a sum of a constant term, I sub 1, due to unattenuated emission from a local hot bubble in which the solar system is immersed, and a term, I sub 2 exp (N sub H sub th) , due to emission from a diffuse source beyond the neutral hydrogen 2.g., the galactic corona).

Clark, G. W.↗

DOE OSTI2025

Spectroscopic investigation of cation effects in U(VI)-NO3- complexation in aqueous solutions

Understanding and manipulating uranyl speciation in aqueous solutions is critical for advancing chemical separation, sensing, and understanding environmental transport of uranyl. We report on the significant enhancement in the complexation of uranyl with nitrate in aqueous solutions containing quaternary ammonium cations leading to the formation of anionic complexes. We base this on the comparative study of the effect of monovalent cations (Na+, Li+, NH4+, and N(CH3)4+) on the complexation equilibria of uranyl-nitrate in solutions, probed by time-resolved laser induced fluorescence spectroscopy (TRLFS). Lifetime-corrected spectra, obtained by extrapolating the time-resolved spectra to t = 0, were used to study speciation to mitigate the effects of variations in the fluorescence lifetimes that depend on extraneous factors such as dynamic quenching. We demonstrate that the lifetime-corrected spectra can be used to determine uranyl speciation in aqueous solutions where the mono-nitrate complex forms, and in acetonitrile with N(CH3)4NO3 where di-nitrate and tris-nitrato species are formed. Aqueous solutions containing N(CH3)4+ are shown to promote the formation of higher complexes of uranyl compared to other inorganic nitrate salts based on the higher redshift in the spectra, poor fits to the two-component model, and the higher apparent formation constants. Comparing the trends in uranyl speciation in the presence of N(CH3)4+ in aqueous and acetonitrile solutions, it is proposed that the quaternary ammonium cations (quats) promote the formation of anionic complexes of uranyl by the ion-association mechanism. These results provide a basis for designing quat-assisted separation systems that target anionic actinide species in aqueous solutions.

Nayak, Srikanth (ORCID:0000000302135796)↗

NASA NTRS1972

Investigation of phase-change coatings for variable thermal control of spacecraft

An investigation was conducted to determine the feasibility of producing a spacecraft coating system that could vary the ratio of its solar absorptance to thermal emittance to adjust automatically for changes in the thermal balance of a spacecraft. This study resulted in a new concept called the phase-change effect which uses the change that occurs in the optical properties of many materials during the phase transition from a crystalline solid to an amorphous material. A series of two-component model coatings was developed which, when placed on a highly reflecting substrate, exhibited a sharp decrease in solar absorptance within a narrow temperature range. A variable thermal control coating can have a significant amount of temperature regulation with the phase-change effect. Data are presented on several crystallite-polymer formulations, their physical and optical properties, and associated phase-change temperatures. Aspects pertaining to their use in a space environment and an example of the degree of thermal regulation attainable with these coatings is also given.

Kelliher, W. C.↗

NASA NTRS1986

A two-dimensional numerical study of the flow inside the combustion chambers of a motored rotary engine

A numerical study was performed to investigate the unsteady, multidimensional flow inside the combustion chambers of an idealized, two-dimensional, rotary engine under motored conditions. The numerical study was based on the time-dependent, two-dimensional, density-weighted, ensemble-averaged conservation equations of mass, species, momentum, and total energy valid for two-component ideal gas mixtures. The ensemble-averaged conservation equations were closed by a K-epsilon model of turbulence. This K-epsilon model of turbulence was modified to account for some of the effects of compressibility, streamline curvature, low-Reynolds number, and preferential stress dissipation. Numerical solutions to the conservation equations were obtained by the highly efficient implicit-factored method of Beam and Warming. The grid system needed to obtain solutions were generated by an algebraic grid generation technique based on transfinite interpolation. Results of the numerical study are presented in graphical form illustrating the flow patterns during intake, compression, gaseous fuel injection, expansion, and exhaust.

Shih, T. I. P.↗

NASA NTRS1986

A two-dimensional numerical study of the flow inside the combustion chamber of a motored rotary engine

Shih, T. I-P.↗

NASA NTRS1975

Measurement of flow fields in a large transonic wind tunnel using a laser velocimeter

An investigation to determine the feasibility of using a laser velocimeter for measuring the mean flow velocities about airplane models in the Langley 16-foot transonic tunnel has recently been completed. The laser velocimeter was a two-component fringe-type used in the back scatter mode. The tunnel airflow was seeded with oil droplets to provide scattering sources for the laser velocimeter. Measurements of the tunnel free-stream velocity were in good agreement with the tunnel calibration, and measurements of the velocity along the stagnating streamline of a hemisphere model, when adjusted for particle lag, were in good agreement with theoretical predictions. The study showed that the laser, optics, and electronics system operated satisfactorily, but that further development is required to reduce scattering particle size and substance accumulation in the tunnel.

Putnam, L. E.↗

NASA NTRS1983

Time-resolved spectrophotometry of the emission lines in the galactic X-ray source H2252-035

The galactic X-ray source H2252-035 has been the object of a concentrated observational effort, since Griffiths et al. (1980) have identified it with a cataclysmic variable-like spectrum. Since the observed 859 s periodicity corresponds to the beat frequency between the X-ray and orbital periods, it has been interpreted as related to a reprocessing of the X-ray flux into optical emission in some region of the system which is rotating with the orbital period and heated by beamed X-ray emission from the compact star. In connection with the present investigation, H2252-035 has been observed with a 120 inch (3 m) telescope and image dissector scanner on 1980 September 9/10 and on 1981 September 20/21. At a time resolution of approximately 2 minutes, four bright emission lines showed short time-scale flickering and a pronounced orbital period variation in phase with the continuum modulation. A two-component model for the line emission region is proposed.

Clarke, J. T.↗

DOE OSTI2025

Hetero-Orbital Two-Component Fractional Quantum Hall States in Bilayer Graphene

A two-dimensional electron system exposed to a strong magnetic field produces a plethora of strongly interacting fractional quantum Hall (FQH) states, the complex topological orders of which are revealed through exotic emergent particles, such as composite fermions, and fractionally charged Abelian and non-Abelian anyons. Much insight has been gained by the study of multicomponent FQH states, where spin and pseudospin indices of the electron contribute additional correlation. Traditional multicomponent FQH states develop in situations where the components share the same orbital states and the resulting interactions are pseudospin independent; this homo-orbital nature is also crucial to their theoretical understanding. Here, we study “hetero-orbital” two-component FQH states, in which the orbital index is part of the pseudospin, rendering the multicomponent interactions strongly SU(2) anisotropic in the pseudospin space. Such states, obtained in bilayer graphene at the isospin transition between 𝑁 = 0 and 𝑁 = 1 electron Landau levels, are markedly different from previous homo-orbital two-component FQH states. In particular, we observe strikingly different behaviors for the parallel-vortex and reverse-vortex attachment composite fermion states, and an anomalously strong two-component 2/5 state over a wide range of magnetic field before it abruptly disappears at a high field. Our findings, combined with detailed theoretical calculations, reveal the surprising robustness of the hetero-orbital FQH effects, significantly enriching our understanding of FQH physics in this novel regime.

Bilayer graphene↗

DOE OSTI2025

Observation of Vortex Stripes in UTe 2

In conventional type-II superconductors, quantum vortices determine the magnetic response of the system and tend to form regular lattices. UTe 2 is a recently discovered heavy Fermion superconductor exhibiting many anomalous macroscopic behaviors, but whether it has a multicomponent order parameter remains open. Here, in this work, we study the vortices of UTe 2 by employing scanning superconducting quantum interference device microscopy. While a small out-of-plane magnetic field produces typical isolated vortices, a higher field generates vortex stripe patterns that evolve with the vortex density. The stripes form at different locations and along different directions in the surface plane when the field is along the b or c axis. The behavior is reproduced by our simulation based on an anisotropic two-component order parameter. This study shows that UTe 2 has a nontrivial disparity of multiple length scales, placing constraints on the multicomponent superconductivity.

UTe2↗

DOE OSTI2025

Tunable pairing with local spin-dependent Rydberg molecule potentials in an atomic Fermi superfluid

We explore the energy spectrum and eigenstates of two-component atomic Fermi superfluids with tunable pairing interactions in the presence of spin-dependent ultralong-range Rydberg molecule (ULRM) potentials, within the Bogoliubov–de Gennes formalism. The attractive ULRM potentials lead to local-density accumulation, while their difference results in a local polarization potential and induces the in-gap Yu-Shiba-Rusinov (YSR) states whose energies lie below the bulk energy gap. A transition from equal population to population imbalance occurs as the pairing strength falls below a critical value, accompanied by the emergence of local Fulde-Ferrell-Larkin-Ovchinnikov (FFLO)–like states characterized by out-of-phase wave functions and lower energies compared to the YSR states. The negative contribution emanating from the FFLO-like states also causes a sign change in the gap function within the ULRM potentials. Depending on the Rydberg excitation, the transition towards population imbalance can be on either the BCS or the Bose-Einstein condensation side of the Fermi superfluid. Additionally, spin-polarized bound states arise along with oscillatory “clumpy states” to compensate for the local-density difference. Here, we discuss possible experimental realizations of the composite Rydberg-atom–Fermi-superfluid system.

Cold and ultracold molecules↗

DOE OSTI2024

17 O NMR Spectroscopy Reveals CO 2 Speciation and Dynamics in Hydroxide-Based Carbon Capture Materials

Carbon dioxide capture technologies are set to play a vital role in mitigating the current climate crisis. Solid-state 17 O NMR spectroscopy can provide key mechanistic insights that are crucial to effective sorbent development. In this work, we present the fundamental aspects and complexities for the study of hydroxide-based CO 2 capture systems by 17 O NMR. We perform static density functional theory (DFT) NMR calculations to assign peaks for general hydroxide CO 2 capture products, finding that 17 O NMR can readily distinguish bicarbonate, carbonate and water species. However, in application to CO 2 binding in two test case hydroxide-functionalised metal-organic frameworks (MOFs) – MFU-4l and KHCO 3 -cyclodextrin-MOF, we find that a dynamic treatment is necessary to obtain agreement between computational and experimental spectra. We therefore introduce a workflow that leverages machine-learning force fields to capture dynamics across multiple chemical exchange regimes, providing a significant improvement on static DFT predictions. In MFU-4l, we parameterise a two-component dynamic motion of the bicarbonate motif involving a rapid carbonyl seesaw motion and intermediate hydroxyl proton hopping. For KHCO 3 -CD-MOF, we combined experimental and modelling approaches to propose a new mixed carbonate-bicarbonate binding mechanism and thus, we open new avenues for the study and modelling of hydroxide-based CO 2 capture materials by 17 O NMR.

NMR spectroscopy↗

DOE OSTI2026

SAP-X2C: Optimally-Simple Two-Component Relativistic Hamiltonian with Size-Intensive Picture Change

We present a simple relativistic exact 2-component (X2C) Hamiltonian that models two-electron picture-change effects using Lehtola’s superposition of atomic potentials (SAP) [S. Lehtola, J. Chem. Theory Comput. 15, 1593−1604 (2019)]. The SAP-X2C approach retains the low cost and technical simplicity of the popular 1-electron X2C (1eX2C) predecessor but is significantly more accurate and has a well-defined thermodynamic limit, making it applicable to extended systems (such as large molecules and periodic crystals). The assessment of the SAP-X2C-based Hartree−Fock total and spinor energies, spin−orbit splittings, equilibrium bond distances, and harmonic vibrational frequencies suggests that SAP-X2C is similar to the more complex atomic meanfield (AMF) X2C counterparts in its ability to approximate the 4-component Dirac−Hartree−Fock reference.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2025

Correcting for Selection Biases in the Determination of the Hubble Constant from Time-Delay Cosmography

The time delay between multiple images of strongly lensed quasars has been used to infer the Hubble constant. The primary systematic uncertainty for time-delay cosmography is the mass-sheet transform (MST), which preserves the lensing observables while altering the inferred ⁠H 0 . The TDCOSMO collaboration used velocity dispersion measurements of lensed quasars and lensed galaxies to infer that mass sheets are present, which decrease the inferred H 0 by 8 per cent. Here, we test the assumption that the density profiles of galaxy–galaxy and galaxy–quasar lenses are the same. We use a composite star-plus-dark-matter mass profile for the parent deflector population and model the selection function for galaxy–galaxy and galaxy–quasar lenses. We find that a power-law density profile with an MST is a good approximation to a two-component mass profile around the Einstein radius, but we find that galaxy–galaxy lenses have systematically higher mass-sheet components than galaxy–quasar lenses. For individual systems, λ int correlates with the ratio of the half-light radius and Einstein radius of the lens. By propagating these results through the TDCOSMO hierarchical inference code, we find that H 0 is lowered by a further 3 per cent. Using a more recent measurement of velocity dispersions and our fiducial model for selection biases, we infer H 0 = 66 ± 4 (stat) ± 1 (model sys) ± 2 (measurement sys) km s -1 Mpc -1 for the TDCOSMO plus SLACS data set. The first residual systematic error is due to plausible alternative choices in modelling the selection function, and the second is an estimate of the remaining systematic error in the measurement of velocity dispersions for SLACS lenses. Accurate time-delay cosmography requires precise velocity dispersion measurements and accurate calibration of selection biases.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2026

Relativistic Exact Two-Component Theory in the Generalized Pseudospectral Representation

We present a formulation and implementation of exact two-component (X2C) relativistic theory in the generalized pseudospectral representation. When combined with the Hartree-Fock-Slater framework, this approach enables efficient and accurate treatments of scalar-relativistic and spin-orbit effects in atomic electronic structures without the computational overhead of four-component methods. Benchmark calculations across light and heavy elements demonstrate that the our X2C scheme yields substantially more accurate relativistic corrections to core-electron binding energies than perturbational Breit-Pauli treatments while converging more rapidly with respect to basis size. The method provides an improved computational framework for modeling ultrafast x-ray-induced processes in heavy-element systems.

Wang, Xubo↗

DOE OSTI2026

Unified Description of Cuprate Superconductors by Fractionalized Electrons Emerging from Integrated Analyses of Photoemission Spectra and Quasiparticle Interference

Electronic structure of high-temperature superconducting cuprates is studied by analyzing experimental data independently obtained from two complementary spectroscopies: one, quasiparticle interference (QPI) measured by scanning-tunneling microscopy, and the other, angle-resolved photoemission spectroscopy (ARPES). We combine these two sets of data in a unified theoretical analysis. Through explicit calculations of experimentally measurable quantities, we show that a simple two-component fermion model (TCFM) representing electron fractionalization succeeds in reproducing various detailed features of these experimental data: ARPES and QPI data are concomitantly reproduced by the TCFM in full energy and momentum spaces. The measured QPI pattern reveals a signature characteristic of the TCFM, distinct from the conventional single-component prediction, supporting the validity of the electron fractionalization in the cuprates. The integrated analysis also solves the puzzles of ARPES and QPI data that are seemingly inconsistent with each other. The overall success of the TCFM offers a comprehensive understanding of the electronic structure of the cuprates, in particular, the unoccupied side of the spectra, of which momentum-resolved structure has long been unexplored experimentally. We further predict that a characteristic QPI pattern should appear in the unoccupied high-energy part if the fractionalization is at work. We propose that integrated-spectroscopy analyses offer a promising way to explore challenging issues of strongly correlated electron systems.

Sakai, Shiro [Sophia University; RIKEN Center for ↗

NASA NTRS1971

Mixing models and the recognition of end-member groups in Apollo 11 and 12 soils.

Lunar soils returned from the Apollo 11 and 12 sites appear to consist of more than one source material. Investigators have suggested that the soil can be described by as few as two end members and possibly as many as five or six. In the present study Q-mode factor analysis is used to establish the end members more rigorously and suggests that major-element chemistry of Apollo 11 and 12 lunar soils can be adequately explained in terms of a three-component mixing system. The end members isolated by Q-mode factor analysis can be regarded as basaltic, anorthositic, and noritic (or KREEP) components. Three-component mixing models fitted by least squares to the eight major oxides indicate that six of the Apollo 12 soils investigated are dominated by the basaltic component, whereas the other five are dominated by the noritic or KREEP component. Anorthosite is present in all soils except sample 12033, which is a simple two-component mixture of basalt and KREEP. The Apollo 11 soil is also a three-component mixture but is more basaltic than the Apollo 12 soils. Anorthositic and KREEP materials are important components of the lunar lithosphere and may be distributed on the lunar surface areally in an independent manner.

Lindsay, J. F.↗

NASA NTRS1972

Investigation of gaseous nuclear rocket technology

The experimental and theoretical investigations conducted during the period from September 1969 through September 1972 are reported which were directed toward obtaining information necessary to determine the feasibility of the full-scale nuclear light bulb engine, and of small-scale nuclear tests involving fissioning uranium plasmas in a unit cell installed in a driver reactor, such as the Nuclear Furnace. Emphasis was placed on development of RF simulations of conditions expected in nuclear tests in the Nuclear Furnace. The work included investigations of the following: (1) the fluid mechanics and containment characteristics of one-component and two-component vortex flows, both unheated and RF-induction heated; (2) heating of particle-seeded streams by thermal radiation from a dc arc to simulate propellant heating; (3) condensation and separation phenomena for metal-vapor/heated-gas mixtures to provide information for conceptual designs of components of fuel exhaust and recycle systems; (4) the characteristics of the radiant energy spectrum emitted from the fuel region, with emphasis on definition of fuel and buffer-gas region seed systems to reduce the ultraviolet radiation emitted from the nuclear fuel; and (5) the effects of nuclear radiation on the optical transmission characteristics of transparent materials.

Kendall, J. S.↗

NASA NTRS1987

Persistent emission and bursts from Aquila X-1 observed by Einstein

A two-component model is applied to an X-ray outburst from Aql X-1 recorded by the Einstein Observatory in March-April 1979. The model treats such outbursts as a combination of a soft, multicolor component (accretion disk) and a hard-blackbody component (boundary layer emission). Evaluation of the light curves indicates that the bursts were caused by an increase in the accretion rate. The calculations also suggest that the system observed is inclined at a 33 deg angle.

Czerny, M.↗